- InChI
- InChI=1S/C10H12N2O5/c1-4-17-10(14)7-5(2)8(12(15)16)6(3)11-9(7)13/h4H2,1-3H3,(H,11,13)
- InChI Key
- CSKMQCJKNCPERC-UHFFFAOYSA-N
- Formula
- C10H12N2O5
- SMILES
-
CCOC(=O)c1c(C)c([N+](=O)[O-])c
(C)[nH]c1=O - Molecular Weight1
- 240.21
- CAS
- 6972-37-8
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7587 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.10 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -490.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 85.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.595 | Crippen Calculated Property | |
| McVol | 168.710 | ml/mol | McGowan Calculated Property |
| Pc | 2428.32 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 595.56 | K | Relay (1.0) Calculated Property |
| Tc | 858.91 | K | Relay (1.0) Calculated Property |
| Tfus | 437.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.606 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Nicotinic acid, 1,2-dihydro-4,6-dimethyl-5-nitro-2-oxo-, ethyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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